SCHEMBL7444699

SCHEMBL7444699

CC(C)c1ccc(N)c(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.46
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
DHFR P00374 1/20 0.41
PRKCZ Q05513 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7445894 0.85 PTGS2 (0.42) ALDH1A1CYP3A4TSHRMAPK1PSEN1
SCHEMBL7442456 0.84 ADRB2 (0.44) AHRALDH1A1CYP3A4TSHRMAPK1
SCHEMBL29901014 0.79 ALDH1A1 (0.56) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1578274 0.78 CYP3A4 (0.58) AHRALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2495842 0.78 AHR (0.52) AHRALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL29900995 0.77 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRMAPK1GAA
SCHEMBL14670465 0.77 AHR (0.67) AHRAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL254524 0.77 AHR (0.50) AHRALDH1A1GAAALOX12HTT
SCHEMBL7435713 0.77 ALDH1A1 (0.48) AKR1C3AKR1C2ALDH1A1CYP3A4TSHR
SCHEMBL1406553 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRMAPK1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed